ethyl 1-methylquinolin-1-ium-2-carboxylate; methyl sulfate

Systemtic Name: ethyl 1-methylquinolin-1-ium-2-carboxylate; methyl sulfate Openeye Name: ethyl 1-methylquinolin-1-ium-2-carboxylate; methyl sulfate CAS Name: 1-methyl-2-quinolin-1-iumcarboxylic acid ethyl ester; methyl sulfate IUPAC Name: ethyl 1-methylquinolin-1-ium-2-carboxylate; methyl sulfate Traditional Name: 1-methylquinolin-1-ium-2-carboxylic acid ethyl ester; methyl sulfate Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC=CC=C2C=C1)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC=CC=C2C=C1)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H14NO2.CH4O4S/c1-3-16-13(15)12-9-8-10-6-4-5-7-11(10)14(12)2;1-5-6(2,3)4/h4-9H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1